SCHEMBL517229

SCHEMBL517229

CC(C)(C)C(=O)NNC(=O)C1CCC(N(C(=O)O)C(C)(C)C)CC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HPGD P15428 2/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
GAA P10253 2/20 0.31
GLA P06280 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL517228 1.00 POLB (0.35) POLBHTTSMN1; SMN2HSD17B10HPGD
SCHEMBL23549777 0.81 SMN1; SMN2 (0.30) SMN1; SMN2HSD17B10HPGDALDH1A1RAB9A
SCHEMBL23549776 0.81 SMN1; SMN2 (0.30) SMN1; SMN2HSD17B10HPGDALDH1A1RAB9A
SCHEMBL3207866 0.81 POLB (0.35) POLBHTTSMN1; SMN2HSD17B10ALDH1A1
SCHEMBL3207877 0.81 POLB (0.35) POLBHTTSMN1; SMN2HSD17B10ALDH1A1
SCHEMBL23549843 0.81 SMN1; SMN2 (0.35) POLBHTTSMN1; SMN2HSD17B10HPGD
SCHEMBL23549842 0.81 SMN1; SMN2 (0.35) POLBHTTSMN1; SMN2HSD17B10HPGD
SCHEMBL3195912 0.80 LMNA (0.38) POLBHTTSMN1; SMN2HSD17B10ALDH1A1
SCHEMBL3195926 0.80 LMNA (0.38) POLBHTTSMN1; SMN2HSD17B10ALDH1A1
SCHEMBL23549818 0.80 POLB (0.34) POLBHTTSMN1; SMN2HSD17B10GLA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2012-02-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY POLB 1792/4885HTT 2987/4885SMN1; SMN2 4695/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.